scandium;trichloromethanesulfonic acid

CHCl3O3SSc — CID 175385777

IUPACscandium;trichloromethanesulfonic acid
SMILESO=S(=O)(O)C(Cl)(Cl)Cl.[Sc]
InChIInChI=1S/CHCl3O3S.Sc/c2-1(3,4)8(5,6)7;/h(H,5,6,7);
InChIKeyPJSHCEBYYDSGKN-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.20
Rot. Bonds

About scandium;trichloromethanesulfonic acid

scandium;trichloromethanesulfonic acid (PubChem CID 175385777) has the molecular formula CHCl3O3SSc and a molecular weight of 244.40 g/mol. Its IUPAC name is scandium;trichloromethanesulfonic acid.

Molecular Properties

Compound Namescandium;trichloromethanesulfonic acid
PubChem CID175385777
Molecular FormulaCHCl3O3SSc
Molecular Weight244.40 g/mol
Exact Mass242.83
IUPAC Namescandium;trichloromethanesulfonic acid
SMILESO=S(=O)(O)C(Cl)(Cl)Cl.[Sc]
InChIInChI=1S/CHCl3O3S.Sc/c2-1(3,4)8(5,6)7;/h(H,5,6,7);
InChIKeyPJSHCEBYYDSGKN-UHFFFAOYSA-N
XLogP1.20
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1-chloroethane-1,1-disulfonic acid
CID 154218709
2-chloro-1,2-difluoro-1-hydroxypropane-1-sulfonic acid
CID 87493305
trifluoromethanesulfonic acid cyanide
CID 171930627
formonitrile;trifluoromethanesulfonic acid
CID 87573592
1,1-dichloro-2,2-difluoro-2-hydroxyethanesulfonic acid
CID 162539021
gold;scandium;sulfuric acid
CID 174939978
beryllium;hydride;sulfuric acid
CID 174664127
bis(scandium);sulfuric acid;octahydrate
CID 86222721
1,1,2-trichloroethane-1,2-disulfonic acid
CID 162740223
osmium;bis(trifluoromethanesulfonic acid)
CID 174919112
platinum;trifluoromethanesulfonic acid
CID 87655055
bis(trifluoromethanesulfonic acid);ytterbium
CID 72641674

Frequently Asked Questions

What is the IUPAC name of scandium;trichloromethanesulfonic acid?
The IUPAC name of scandium;trichloromethanesulfonic acid (CID 175385777) is scandium;trichloromethanesulfonic acid.
What is the SMILES notation for scandium;trichloromethanesulfonic acid?
The canonical SMILES for scandium;trichloromethanesulfonic acid is O=S(=O)(O)C(Cl)(Cl)Cl.[Sc].
What is the InChIKey of scandium;trichloromethanesulfonic acid?
The InChIKey is PJSHCEBYYDSGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/CHCl3O3S.Sc/c2-1(3,4)8(5,6)7;/h(H,5,6,7);.
What are the key properties of scandium;trichloromethanesulfonic acid?
scandium;trichloromethanesulfonic acid has a molecular weight of 244.40 g/mol, XLogP of 1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for scandium;trichloromethanesulfonic acid is sourced from PubChem (CID 175385777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).